CAS 327056-62-2 2-Cyano-5-fluoropyridine (HCID 11332453)

部分構造検索類似構造を探す

基本情報

CAS: 327056-62-2
標準SMILES: N#Cc1ccc(F)cn1
InChIKey: BHXHRMVSUUPOLX-UHFFFAOYSA-N
分子式: C6H3FN2
平均分子量: 122.1 g/mol
単同位体質量: 122.02802632

概要

2-Cyano-5-fluoropyridine is a member of pyridines.

名称と識別子

優先名称: 2-Cyano-5-fluoropyridine
IUPAC: 5-fluoropyridine-2-carbonitrile
現地名: 2-シアノ-5-フルオロピリジン
英語名: 2-Cyano-5-fluoropyridine
分子式: C6H3FN2
分子量: 122.1

名称と別名

2-Cyano-5-fluoropyridine327056-62-2DTXSID90462537RefChem:259627DTXCID80413356627-618-95-fluoropyridine-2-carbonitrile5-fluoropicolinonitrile5-FLUORO-2-PYRIDINECARBONITRILEMFCD087413712-Cyano-5-fluorpyridine5-Fluoro-pyridine-2-carbonitrile

名称をさらに表示

2-シアノ-5-フルオロピリジン5-フルオロ-2-ピリジンカルボニトリル5-Fluoro-2-cyanopyridine2-Cyano-5-fluoropyridine, 98+%5-Fluoropyridin-2-carbonitrile2-Carbonitrile-5-fluoropyridine6-methyl-5-nitro-1H-pyridin-3-one

SCHEMBL1852795-luoropyridine-2-carbonitrileorb3170133SCHEMBL21294338SCHEMBL298268472-Cyano-5-fluoropyridine, 97%BHXHRMVSUUPOLX-UHFFFAOYSA-NCHEBI:194641

データベース識別子

CAS: 327056-62-2
PubChem CID: 11332453
DTXSID: DTXSID90462537
ChEBI: CHEBI:194641
EC Number: 627-618-9

物性

構造計算による物性

XLogP: 1
極性表面積: 36.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 137

物理化学的性質

融点: 35 · 35-41 °C
沸点: 214.9 · 214.9±20.0 °C(Predicted)
比重(密度): 1.24 · 1.24±0.1 g/cm3(Predicted)
闪点: 99 °C · 99 °C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): -2.74 · -2.74±0.10(Predicted)
色: White to Almost white
InChI: InChI=1S/C6H3FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
InChIKey: BHXHRMVSUUPOLX-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(F)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (96%)

安全データ

wgk: 3
ridadr: UN3439
hs_code: 2933399990
risk_code: 22-41-50/53
hazard_code: Xn,N
safety_code: 26-39-60-61
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects